methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate

C13H10ClF2NO3 — CID 129247510

IUPACmethyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(C)c(OC(F)F)c(Cl)cc2c1
InChIInChI=1S/C13H10ClF2NO3/c1-6-10-7(3-8(5-17-10)12(18)19-2)4-9(14)11(6)20-13(15)16/h3-5,13H,1-2H3
InChIKeyDUBBZOZLSHEHND-UHFFFAOYSA-N
MW301.68 g/mol
LogP3.58
Rot. Bonds3

About methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate

methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate (PubChem CID 129247510) has the molecular formula C13H10ClF2NO3 and a molecular weight of 301.68 g/mol. Its IUPAC name is methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate
PubChem CID129247510
Molecular FormulaC13H10ClF2NO3
Molecular Weight301.68 g/mol
Exact Mass301.03
IUPAC Namemethyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(C)c(OC(F)F)c(Cl)cc2c1
InChIInChI=1S/C13H10ClF2NO3/c1-6-10-7(3-8(5-17-10)12(18)19-2)4-9(14)11(6)20-13(15)16/h3-5,13H,1-2H3
InChIKeyDUBBZOZLSHEHND-UHFFFAOYSA-N
XLogP3.58
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.68
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-7-(difluoromethoxy)-8-fluoroquinoline-3-carboxylic acid
CID 129247533
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
ethane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate
CID 145002118
methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate
CID 166552523
methyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate
CID 171787737
methyl 6-chloro-7-methoxy-1,8-naphthyridine-3-carboxylate
CID 142496373
methyl 3,4-dichloro-5-(difluoromethoxy)benzoate
CID 121228221
methyl 6-bromo-8-fluoroquinoline-3-carboxylate
CID 138106125
methyl 4-(difluoromethoxy)-3,5-difluorobenzoate
CID 134648316
ethane;methyl 6-chloro-5-methylpyridine-3-carboxylate
CID 170617619
methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate
CID 168856661
methyl 7,8-dimethoxyquinoline-3-carboxylate
CID 166736815

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate?
The IUPAC name of methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate (CID 129247510) is methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate?
The canonical SMILES for methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate is COC(=O)c1cnc2c(C)c(OC(F)F)c(Cl)cc2c1.
What is the InChIKey of methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate?
The InChIKey is DUBBZOZLSHEHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO3/c1-6-10-7(3-8(5-17-10)12(18)19-2)4-9(14)11(6)20-13(15)16/h3-5,13H,1-2H3.
What are the key properties of methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate?
methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate has a molecular weight of 301.68 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-7-(difluoromethoxy)-8-methylquinoline-3-carboxylate is sourced from PubChem (CID 129247510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).